2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S2/c1-18-9-10-19(2)23(16-18)34(31,32)28-13-11-27(12-14-28)17-29-25(30)21-7-4-3-6-20(21)24(26-29)22-8-5-15-33-22/h3-10,15-16H,11-14,17H2,1-2H3